3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide

C15H24N2O3 — CID 82152685

IUPAC3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide
SMILESCCOc1ccc(CCC(=O)NC(CC)CO)cc1N
InChIInChI=1S/C15H24N2O3/c1-3-12(10-18)17-15(19)8-6-11-5-7-14(20-4-2)13(16)9-11/h5,7,9,12,18H,3-4,6,8,10,16H2,1-2H3,(H,17,19)
InChIKeyBEBQTSNTFNCIKI-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.49
Rot. Bonds8

About 3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide

3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide (PubChem CID 82152685) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide
PubChem CID82152685
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide
SMILESCCOc1ccc(CCC(=O)NC(CC)CO)cc1N
InChIInChI=1S/C15H24N2O3/c1-3-12(10-18)17-15(19)8-6-11-5-7-14(20-4-2)13(16)9-11/h5,7,9,12,18H,3-4,6,8,10,16H2,1-2H3,(H,17,19)
InChIKeyBEBQTSNTFNCIKI-UHFFFAOYSA-N
XLogP1.49
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide
CID 61094806
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920079
3-(3-amino-4-ethoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 82153635
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide
CID 82152722
3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide
CID 112501637
3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 82153638
3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide
CID 82152691
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401
3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide
CID 94759066
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417966

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide?
The IUPAC name of 3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide (CID 82152685) is 3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide.
What is the SMILES notation for 3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide?
The canonical SMILES for 3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide is CCOc1ccc(CCC(=O)NC(CC)CO)cc1N.
What is the InChIKey of 3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide?
The InChIKey is BEBQTSNTFNCIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-12(10-18)17-15(19)8-6-11-5-7-14(20-4-2)13(16)9-11/h5,7,9,12,18H,3-4,6,8,10,16H2,1-2H3,(H,17,19).
What are the key properties of 3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide?
3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide is sourced from PubChem (CID 82152685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).